1,5-dicyclopentyl-1,5-bis(2-methylphenyl)pentan-3-one

C29H38O — CID 73011663

IUPAC1,5-dicyclopentyl-1,5-bis(2-methylphenyl)pentan-3-one
SMILESCc1ccccc1C(CC(=O)CC(c1ccccc1C)C1CCCC1)C1CCCC1
InChIInChI=1S/C29H38O/c1-21-11-3-9-17-26(21)28(23-13-5-6-14-23)19-25(30)20-29(24-15-7-8-16-24)27-18-10-4-12-22(27)2/h3-4,9-12,17-18,23-24,28-29H,5-8,13-16,19-20H2,1-2H3
InChIKeyIZKQYXKIDOEINM-UHFFFAOYSA-N
MW402.62 g/mol
LogP7.90
Rot. Bonds8

About 1,5-dicyclopentyl-1,5-bis(2-methylphenyl)pentan-3-one

1,5-dicyclopentyl-1,5-bis(2-methylphenyl)pentan-3-one (PubChem CID 73011663) has the molecular formula C29H38O and a molecular weight of 402.62 g/mol. Its IUPAC name is 1,5-dicyclopentyl-1,5-bis(2-methylphenyl)pentan-3-one.

Molecular Properties

Compound Name1,5-dicyclopentyl-1,5-bis(2-methylphenyl)pentan-3-one
PubChem CID73011663
Molecular FormulaC29H38O
Molecular Weight402.62 g/mol
Exact Mass402.29
IUPAC Name1,5-dicyclopentyl-1,5-bis(2-methylphenyl)pentan-3-one
SMILESCc1ccccc1C(CC(=O)CC(c1ccccc1C)C1CCCC1)C1CCCC1
InChIInChI=1S/C29H38O/c1-21-11-3-9-17-26(21)28(23-13-5-6-14-23)19-25(30)20-29(24-15-7-8-16-24)27-18-10-4-12-22(27)2/h3-4,9-12,17-18,23-24,28-29H,5-8,13-16,19-20H2,1-2H3
InChIKeyIZKQYXKIDOEINM-UHFFFAOYSA-N
XLogP7.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.62
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-di(cyclobutyl)-1,5-bis(2-methylphenyl)pentan-3-one
CID 73011538
(1R,5S)-1,5-dicyclopentyl-1,5-bis(2,3-dimethylphenyl)pentan-3-one
CID 97304244
3-cyclopentyl-3-(2-methylphenyl)propanamide
CID 82082222
(1S,5S)-1,5-dicyclopropyl-1,5-bis(2,3-dimethylphenyl)pentan-3-one
CID 97304291
(1R,5R)-1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 97304257
1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 73011662
3-cyclopropyl-3-(2-methylphenyl)propanamide
CID 82076759
(1R,5R)-1,5-dicyclohexyl-1,5-bis(2,4-dimethylphenyl)pentan-3-one
CID 97304203
(1S,5R)-1,5-di(cyclobutyl)-1,5-bis(2,4-dimethylphenyl)pentan-3-one
CID 97304157
1,5-dicyclopropyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 73011725
(1R,5R)-1,5-dicyclopentyl-1,5-bis(4-methylphenyl)pentan-3-one
CID 97304287
N-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-2-amine
CID 82932644

Frequently Asked Questions

What is the IUPAC name of 1,5-dicyclopentyl-1,5-bis(2-methylphenyl)pentan-3-one?
The IUPAC name of 1,5-dicyclopentyl-1,5-bis(2-methylphenyl)pentan-3-one (CID 73011663) is 1,5-dicyclopentyl-1,5-bis(2-methylphenyl)pentan-3-one.
What is the SMILES notation for 1,5-dicyclopentyl-1,5-bis(2-methylphenyl)pentan-3-one?
The canonical SMILES for 1,5-dicyclopentyl-1,5-bis(2-methylphenyl)pentan-3-one is Cc1ccccc1C(CC(=O)CC(c1ccccc1C)C1CCCC1)C1CCCC1.
What is the InChIKey of 1,5-dicyclopentyl-1,5-bis(2-methylphenyl)pentan-3-one?
The InChIKey is IZKQYXKIDOEINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38O/c1-21-11-3-9-17-26(21)28(23-13-5-6-14-23)19-25(30)20-29(24-15-7-8-16-24)27-18-10-4-12-22(27)2/h3-4,9-12,17-18,23-24,28-29H,5-8,13-16,19-20H2,1-2H3.
What are the key properties of 1,5-dicyclopentyl-1,5-bis(2-methylphenyl)pentan-3-one?
1,5-dicyclopentyl-1,5-bis(2-methylphenyl)pentan-3-one has a molecular weight of 402.62 g/mol, XLogP of 7.90, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dicyclopentyl-1,5-bis(2-methylphenyl)pentan-3-one is sourced from PubChem (CID 73011663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).